5-(2-aminopentanoylamino)-2-methylbenzoic acid

C13H18N2O3 — CID 63654195

IUPAC5-(2-aminopentanoylamino)-2-methylbenzoic acid
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-3-4-11(14)12(16)15-9-6-5-8(2)10(7-9)13(17)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIKCJQADOSLXYEP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.76
Rot. Bonds5

About 5-(2-aminopentanoylamino)-2-methylbenzoic acid

5-(2-aminopentanoylamino)-2-methylbenzoic acid (PubChem CID 63654195) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2-aminopentanoylamino)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-aminopentanoylamino)-2-methylbenzoic acid
PubChem CID63654195
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2-aminopentanoylamino)-2-methylbenzoic acid
SMILESCCCC(N)C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-3-4-11(14)12(16)15-9-6-5-8(2)10(7-9)13(17)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyIKCJQADOSLXYEP-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
5-(2-aminopentanoylamino)-2-methylbenzamide;hydrochloride
CID 119316574
5-[[(2S)-2-aminopentanoyl]amino]-2,3-dimethylbenzoic acid
CID 107569648
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
4-(2-aminopentanoylamino)-2-chlorobenzoic acid
CID 61399026
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
5-[(6-amino-2-methylheptanoyl)amino]-2-methylbenzoic acid
CID 65291238
4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopentanoylamino)-2-methylbenzoic acid?
The IUPAC name of 5-(2-aminopentanoylamino)-2-methylbenzoic acid (CID 63654195) is 5-(2-aminopentanoylamino)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-aminopentanoylamino)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-aminopentanoylamino)-2-methylbenzoic acid is CCCC(N)C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-(2-aminopentanoylamino)-2-methylbenzoic acid?
The InChIKey is IKCJQADOSLXYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-4-11(14)12(16)15-9-6-5-8(2)10(7-9)13(17)18/h5-7,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-aminopentanoylamino)-2-methylbenzoic acid?
5-(2-aminopentanoylamino)-2-methylbenzoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopentanoylamino)-2-methylbenzoic acid is sourced from PubChem (CID 63654195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).